SCHEMBL366563

SCHEMBL366563

CC(CN(C)C)OC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SLC2A1 P11166 1/20 0.34
KMT2A Q03164 3/20 0.33
UTS2R Q9UKP6 1/20 0.32
TOP1 P11387 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APAF1 O14727 1/20 0.32
G6PD P11413 1/20 0.32
PABPC1 P11940 1/20 0.32
CACNA1B Q00975 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL364154 0.89 MAPT (0.39) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL366083 0.88 PSEN1 (0.38) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL366259 0.87 ALDH1A1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL366403 0.87 KDM4E (0.37) TSHRALDH1A1HSD17B10PSEN1PSEN2
SCHEMBL367500 0.85 PSEN1 (0.35) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL367128 0.85 ALDH1A1 (0.35) TSHRALDH1A1HSD17B10PSEN1PSEN2
SCHEMBL366562 0.85 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10PSEN1PSEN2
SCHEMBL367591 0.84 PSEN1 (0.35) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL365093 0.83 ACHE (0.38) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL364973 0.83 KMT2A (0.42) TSHRALDH1A1PSEN1PSEN2APH1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed